Isopropanol → 2-tert-Butylcyclohexyloxybutanol

HRID 1146212

Reaction equation

HRID 1146212 reaction equation
[C:17]([CH:18]1[CH2:19][CH2:20][CH2:21][CH2:22][C:23]1=[O:24])([CH3:25])([CH3:26])[CH3:27].[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[C:6]2([O:7][CH2:8][CH:9]([CH2:11][CH3:12])[O:10]2)[CH2:13][CH2:14][CH2:15][CH2:16]1.[CH2:28]([OH:29])[CH:30]([OH:31])[CH2:32][CH3:33].[CH:35]([OH:36])([CH3:37])[CH3:38].[Pd:34]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH:6]([O:7][CH2:8][CH:9]([OH:10])[CH2:11][CH3:12])[CH2:13][CH2:14][CH2:15][CH2:16]1

Participants

6

Reactant 5

HCID 3776IsopropanolHCID 114291,2-ButanediolHCID 23938PalladiumHCID 1026812-tert-ButylcyclohexanoneHCID 157895866-t-Butyl-2-ethyl-1,4-dioxaspiro[4.5]decane

Product 1

HCID 1644222-tert-Butylcyclohexyloxybutanol

Sources & evidence

ORD record
ord-42d52415fb344f4e80360ef110f5ea9b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Linked notes

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